methyl 3,3-dimethyl-7H-pyrano[2,3-c]carbazole-10-carboxylate

C19H17NO3 — CID 51039827

IUPACmethyl 3,3-dimethyl-7H-pyrano[2,3-c]carbazole-10-carboxylate
SMILESCOC(=O)c1ccc2[nH]c3ccc4c(c3c2c1)C=CC(C)(C)O4
InChIInChI=1S/C19H17NO3/c1-19(2)9-8-12-16(23-19)7-6-15-17(12)13-10-11(18(21)22-3)4-5-14(13)20-15/h4-10,20H,1-3H3
InChIKeyPCLJYOVKGSBXJW-UHFFFAOYSA-N
MW307.35 g/mol
LogP4.29
Rot. Bonds1

About methyl 3,3-dimethyl-7H-pyrano[2,3-c]carbazole-10-carboxylate

methyl 3,3-dimethyl-7H-pyrano[2,3-c]carbazole-10-carboxylate (PubChem CID 51039827) has the molecular formula C19H17NO3 and a molecular weight of 307.35 g/mol. Its IUPAC name is methyl 3,3-dimethyl-7H-pyrano[2,3-c]carbazole-10-carboxylate.

Molecular Properties

Compound Namemethyl 3,3-dimethyl-7H-pyrano[2,3-c]carbazole-10-carboxylate
PubChem CID51039827
Molecular FormulaC19H17NO3
Molecular Weight307.35 g/mol
Exact Mass307.12
IUPAC Namemethyl 3,3-dimethyl-7H-pyrano[2,3-c]carbazole-10-carboxylate
SMILESCOC(=O)c1ccc2[nH]c3ccc4c(c3c2c1)C=CC(C)(C)O4
InChIInChI=1S/C19H17NO3/c1-19(2)9-8-12-16(23-19)7-6-15-17(12)13-10-11(18(21)22-3)4-5-14(13)20-15/h4-10,20H,1-3H3
InChIKeyPCLJYOVKGSBXJW-UHFFFAOYSA-N
XLogP4.29
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 8-hydroxy-3,3-dimethyl-7H-pyrano[2,3-c]carbazole-10-carboxylate
CID 71623859
methyl 3,5,8,10-tetraoxo-4,9,19-triazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1,6,11,13(18),14,16-hexaene-15-carboxylate
CID 11696235
methyl 2,3-dimethyl-1H-indole-5-carboxylate
CID 11344717
methyl 7-hydroxy-5-methoxy-2,2-dimethylchromene-6-carboxylate
CID 166070185
methyl 2,2-dimethyl-3H-1-benzofuran-5-carboxylate
CID 15284749
(2,2-dimethylchromen-6-yl) 3,4-dimethoxybenzoate
CID 89257218
1-(5-methoxy-2,2-dimethylchromen-6-yl)ethanone
CID 10879004
methyl 2-bromo-3-(2,2-difluoroethyl)-1H-indole-5-carboxylate
CID 152674651
methyl 2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indole-5-carboxylate
CID 154640119
[2-(18F)fluoro-1-(3,4,5-trimethoxyphenyl)ethyl] 2,2-dimethylchromene-6-carboxylate
CID 11640268
methyl 7-hydroxy-2,2-dimethylchromene-6-carboxylate
CID 101088554
methyl 6,11-dioxo-5H-benzo[b]carbazole-2-carboxylate
CID 170638986

Frequently Asked Questions

What is the IUPAC name of methyl 3,3-dimethyl-7H-pyrano[2,3-c]carbazole-10-carboxylate?
The IUPAC name of methyl 3,3-dimethyl-7H-pyrano[2,3-c]carbazole-10-carboxylate (CID 51039827) is methyl 3,3-dimethyl-7H-pyrano[2,3-c]carbazole-10-carboxylate.
What is the SMILES notation for methyl 3,3-dimethyl-7H-pyrano[2,3-c]carbazole-10-carboxylate?
The canonical SMILES for methyl 3,3-dimethyl-7H-pyrano[2,3-c]carbazole-10-carboxylate is COC(=O)c1ccc2[nH]c3ccc4c(c3c2c1)C=CC(C)(C)O4.
What is the InChIKey of methyl 3,3-dimethyl-7H-pyrano[2,3-c]carbazole-10-carboxylate?
The InChIKey is PCLJYOVKGSBXJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3/c1-19(2)9-8-12-16(23-19)7-6-15-17(12)13-10-11(18(21)22-3)4-5-14(13)20-15/h4-10,20H,1-3H3.
What are the key properties of methyl 3,3-dimethyl-7H-pyrano[2,3-c]carbazole-10-carboxylate?
methyl 3,3-dimethyl-7H-pyrano[2,3-c]carbazole-10-carboxylate has a molecular weight of 307.35 g/mol, XLogP of 4.29, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3,3-dimethyl-7H-pyrano[2,3-c]carbazole-10-carboxylate is sourced from PubChem (CID 51039827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).